Geometry & MOs

Info

ID:	355703
PubChem CID:	127289776
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	353.105879
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	3.68
IP(EA), eV:	-9.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations